Crystallography Open Database

Information card for entry 1504522

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Structure parameters

Formula	C21 H35 N O Si
Calculated formula	C21 H35 N O Si
SMILES	[Si]([C@@H]1[C@](C(=O)N(CC)CC)([C@H]1c1ccccc1)C)(C(C)(C)C)(C)C.[Si]([C@H]1[C@@](C(=O)N(CC)CC)([C@@H]1c1ccccc1)C)(C(C)(C)C)(C)C
Title of publication	Stereospecific and stereoselective alkyl and silylcyclopropanation of alpha,beta-unsaturated amides.
Authors of publication	Concellón, José M; Rodríguez-Solla, Humberto; Méjica, Carmen; Blanco, Elena G.; García-Granda, Santiago; Díaz, M Rosario
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	2
Pages of publication	349 - 352
a	16.311 ± 0.001 Å
b	10.6441 ± 0.0009 Å
c	13.029 ± 0.001 Å
α	90°
β	103.443 ± 0.007°
γ	90°
Cell volume	2200.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.097
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1476
Weighted residual factors for all reflections included in the refinement	0.1785
Goodness-of-fit parameter for all reflections included in the refinement	0.967
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1504522.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1504522.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504522.cif
42137	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504522 via cif-deposit CGI script.	1504522.cif